The geometric structures and the electronic properties of C_(60)(CF_3)_n(n=2, 4, 6, 10) are studied using the generalized gradient approximation (GGA) based on the density functional theory (DFT).

• 采用密度泛函理论中的广义梯度近似，探讨了富勒烯衍生物C_(60)(CF_3)_n(n=2、4、6、10)的几何结构和电子性质。